(3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-3-(quinolin-3-ylmethylamino)butanamide

Systemtic Name: (3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-3-(quinolin-3-ylmethylamino)butanamide Openeye Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-phenyl-3-(3-quinolylmethylamino)butanamide CAS Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-3-(3-quinolinylmethylamino)butanamide IUPAC Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-3-(quinolin-3-ylmethylamino)butanamide Traditional Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-phenyl-3-(3-quinolylmethylamino)butyramide Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NC(CC2=CC=CC=C2)C(=O)N)NCC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NCC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C29H30N4O2/c30-29(35)27(17-22-11-5-2-6-12-22)33-28(34)18-25(16-21-9-3-1-4-10-21)31-19-23-15-24-13-7-8-14-26(24)32-20-23/h1-15,20,25,27,31H,16-19H2,(H2,30,35)(H,33,34)/t25-,27-/m0/s1